REMARK  Name = BDB057606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340  -0.354  -1.745  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.962  -0.779  -1.931  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.104  -0.819  -3.354  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.254  -1.282  -4.172  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.003  -0.385  -3.985  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.854  -0.120  -2.983  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.790   0.209  -3.186  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.868  -1.113  -0.845  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -3.212  -1.072  -1.153  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -3.496  -0.633  -2.016  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.465  -1.360   0.290  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.223  -1.295  -0.138  0.00  0.00    +0.109 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.429  -0.069   0.756  0.00  0.00    +0.055 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.500  -0.303   1.784  0.00  0.00    -0.028 A 
ATOM     15  C   LIG    1       -5.219  -0.980   2.968  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -6.136  -1.245   3.925  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -7.394  -0.814   3.696  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -7.779  -0.134   2.552  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -6.815   0.122   1.581  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  20
ATOM     20  N   LIG    1        1.080  -0.160  -0.631  0.00  0.00    -0.221 N 
ATOM     21  H   LIG    1        0.660  -0.441   0.263  0.00  0.00    +0.176 HD
BRANCH  20  23
ATOM     22  C   LIG    1        2.961   0.331   0.472  0.00  0.00    +0.138 C 
ATOM     23  N   LIG    1        2.374   0.254  -0.681  0.00  0.00    -0.189 NA
BRANCH  22  27
ATOM     24  C   LIG    1        7.029   1.575   0.909  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        6.262   1.228   2.025  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.933   0.821   1.881  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.366   0.762   0.608  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1        5.125   1.107  -0.514  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        6.456   1.513  -0.362  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        9.138   2.312   0.094  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        8.312   1.953   1.195  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  22  27
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 8